Iron in PDB 5yzf: X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin

The structure of X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin, PDB code: 5yzf was solved by H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.37 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.794, 47.931, 82.705, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 20.3

The binding sites of Iron atom in the X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin (pdb code 5yzf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin, PDB code: 5yzf:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Met K42C Sperm Whale Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:15.8 occ:1.00 FE A:HEM201 0.0 15.8 1.0 ND A:HEM201 1.9 15.1 1.0 NA A:HEM201 2.0 15.2 1.0 NC A:HEM201 2.1 14.2 1.0 NB A:HEM201 2.1 14.5 1.0 NE2 A:HIS94 2.1 15.5 1.0 O A:HOH307 2.2 17.8 1.0 C4D A:HEM201 3.0 15.9 1.0 C1D A:HEM201 3.0 15.6 1.0 CE1 A:HIS94 3.0 15.8 1.0 C4C A:HEM201 3.0 14.3 1.0 C1A A:HEM201 3.1 16.2 1.0 C4A A:HEM201 3.1 14.7 1.0 C4B A:HEM201 3.1 14.8 1.0 C1B A:HEM201 3.1 12.7 1.0 C1C A:HEM201 3.1 12.8 1.0 CD2 A:HIS94 3.2 17.3 1.0 CHD A:HEM201 3.4 14.0 1.0 CHA A:HEM201 3.4 15.9 1.0 CHC A:HEM201 3.5 13.4 1.0 CHB A:HEM201 3.5 13.5 1.0 ND1 A:HIS94 4.2 16.3 1.0 C3D A:HEM201 4.2 16.2 1.0 C2D A:HEM201 4.2 17.7 1.0 C3C A:HEM201 4.3 13.6 1.0 C2A A:HEM201 4.3 15.4 1.0 C3A A:HEM201 4.3 16.5 1.0 C2C A:HEM201 4.3 13.0 1.0 C2B A:HEM201 4.3 14.5 1.0 CG A:HIS94 4.3 15.3 1.0 NE2 A:HIS65 4.3 19.1 0.9 C3B A:HEM201 4.3 13.6 1.0 CE1 A:HIS65 4.6 20.0 1.0 CG2 A:VAL69 4.6 18.0 1.0

H.M.Cheng, H.Yuan, X.J.Wang, J.K.Xu, S.Q.Gao, G.B.Wen, X.Tan, Y.W.Lin. Formation of Cys-Heme Cross-Link in K42C Myoglobin Under Reductive Conditions with Molecular Oxygen J. Inorg. Biochem. V. 182 141 2018.
ISSN: ISSN 1873-3344
PubMed: 29477977
DOI: 10.1016/J.JINORGBIO.2018.02.011